Information card for entry 2225618

Structure parameters

• Chemical name: 2-Bromo-<i>p</i>-terphenyl
• Formula: C18 H13 Br
• Calculated formula: C18 H13 Br
• SMILES: Brc1ccccc1c1ccc(cc1)c1ccccc1
• Title of publication: 2-Bromo-<i>p</i>-terphenyl
• Authors of publication: Moon, Suk-Hee; Yoon, Heesook; Kang, Youngjin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o743
• a: 27.039 ± 0.01 Å
• b: 7.597 ± 0.003 Å
• c: 18.907 ± 0.007 Å
• α: 90°
• β: 133.65 ± 0.005°
• γ: 90°
• Cell volume: 2810.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes